orbital_charges     :real:2:4,3
  0.188341481341625E+001  0.110077723218933E+001  0.101580795476804E+001
  0.200000000000000E+001  0.999999999813194E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.999999999813194E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.770371977754894E-031  0.153870728407206E+000 -0.555111512277705E-016
  0.164012023419719E-016 -0.769353642036030E-001 -0.207642136463072E-001
 -0.164012023419720E-016 -0.769353642036030E-001  0.207642136463073E-001
mermin_energy       :real:0:
 -0.394124019401531E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
